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Androst-1-ene-3,17-dione
SpectraBase Compound ID DyK3leQfeva
InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1
InChIKey WJIQCDPCDVWDDE-QJISAEMRSA-N
Mol Weight 286.42 g/mol
Molecular Formula C19H26O2
Exact Mass 286.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B29uAAQ39wU
Name 5.BETA.-ANDROST-1-ENE-3,17-DIONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 286.193280075 u
Formula C19H26O2
InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1
InChIKey WJIQCDPCDVWDDE-QJISAEMRSA-N
Molecular Weight 286.415 g/mol
Nominal Mass 286 u
Number of Peaks 73
SMILES C1(C=C[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])=O)C)[H])C)=O
SPLASH splash10-05g0-6930000000-94fda257040cf17f2d6e
Source File Reference LMCM-41699-316P
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ANDROST-1-ENE-3,17-DIONE (5R,8R,9S,10R,13S,14S)-10,13-dimethyl-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17(4H)-dione
Wiley ID 4_275